6EIF
DYRK1A in complex with XMD7-117
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.440, 88.536, 231.142 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.570 - 2.220 |
| R-factor | 0.21998 |
| Rwork | 0.218 |
| R-free | 0.25049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nct |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.076 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.220 | 1.930 |
| Rmeas | 0.149 | 0.775 |
| Number of reflections | 89260 | |
| <I/σ(I)> | 8.6 | 1.93 |
| Completeness [%] | 99.1 | 96.2 |
| Redundancy | 4.9 | |
| CC(1/2) | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M KSCN; 0.1M NaCl; 14% PEG 3350, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
